Glycoside
GD037174
Name:
NoneFormula:
C43H68O13Smiles:
CC(=O)O[C@H](CC(C)C)C[C@@]1(C)OC(=O)[C@@]23CC[C@@H]4C(=CC[C@@H]5C(C)(C)[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](C)[C@H](O)[C@H](O)[C@H]6O)CC[C@]45C)[C@@]2(C)CC[C@H]13Aglycone:
CC(=O)OC(CC(C)C)CC1(C)OC(=O)C23CCC4C(=CCC5C(C)(C)C(O)CCC45C)C2(C)CCC13Sugarmoiety:
CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 5 | FractionCSP3: | 0.91 |
| AlogP: | 3.93 | Num_rotatable_bonds: | 9 |
| MolWt: | 793.0 | Num_heavy_atoms: | 56 |
| TPSA: | 190.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD03991
Formula: C32H50O5
Smiles:
CC(=O)OC(CC(C)C)CC1(C)OC(=O)C23CCC4C(=CCC5C(C)(C)C(O)CCC45C)C2(C)CCC13| HBA: | 5 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.88 |
| AlogP: | 6.62 | Num_rotatable_bonds: | 5 |
| MolWt: | 514.75 | Num_heavy_atoms: | 37 |
| TPSA: | 72.83 | NumAromaticRings: | 0 |
